[3-[(cyclopropylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate

Systemtic Name: [3-[(cyclopropylamino)methyl]phenyl] 4-fluoranylbenzenesulfonate Openeye Name: [3-[(cyclopropylamino)methyl]phenyl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [3-[(cyclopropylamino)methyl]phenyl] ester IUPAC Name: [3-[(cyclopropylamino)methyl]phenyl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [3-[(cyclopropylamino)methyl]phenyl] ester Formula: C16H16FNO3S MolecularWeight: 321.366543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NCC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CC1NCC2=CC(=CC=C2)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H16FNO3S/c17-13-4-8-16(9-5-13)22(19,20)21-15-3-1-2-12(10-15)11-18-14-6-7-14/h1-5,8-10,14,18H,6-7,11H2